|
|||||
|
|
Synthesis, molecular structure, NMR spectroscopic and computational analysis of a selective adenosine A2A antagonist, ZM 241385 |
|
| Authors: | Manuela Jörg Mark Agostino Elizabeth Yuriev Frankie S Mak Neil D Miller Jonathan M White Peter J Scammells Ben Capuano |
| Institution: | 1. Medicinal Chemistry, Monash Institute of Pharmaceutical Sciences, 381 Royal Parade, Parkville, VIC, 3052, Australia 4. Western Australian Biomedical Research Institute, Curtin Health Innovation Research Institute, School of Biomedical Sciences, Curtin University, GPO Box U1987, Perth, WA, 6845, Australia 2. GlaxoSmithKline, GSK R&D China, Singapore Research Centre, 11 Biopolis Way, Helios Bldg #03-01/02, Singapore, 138667, Singapore 3. Bio21 Molecular Science & Biotechnology Institute, The University of Melbourne, 30 Flemington Road, Parkville, VIC, 3010, Australia |
| Abstract: | Herein, we describe the synthesis of the adenosine A2A antagonist ZM 241385 (9) starting from commercially available 2-furanhydrazide (1) and including a comprehensive structural characterization of all the intermediates and the final product. In addition, extensive NMR analysis, including temperature and concentration-dependent experiments, are reported as well as the first single-crystal structure of the compound ZM 241385 (9) as the trihydrate. Furthermore, an extensive structural comparison of the single-crystal structure with the published protein bound X-ray structures is reported. |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ | |